3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(1-Naphthyl)Propanoic Acid
[CAS# 268209-95-6]

Identification

• Name: 3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(1-Naphthyl)Propanoic Acid
• Synonyms: (R,S)-BOC-3-AMINO-3-(1-NAPHTHYL)-PROPIONICACID; 3-Boc-amino-3-(1-naphthyl)propanoic acid
• Molecular Formula: C₁₈H₂₁NO₄
• Molecular Weight: 315.36
• CAS Registry Number: 268209-95-6
• SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC2=CC=CC=C21
• InChI: 1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(11-16(20)21)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)
• InChIKey: YDSAGJMVVUBPOK-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 179-181°C (Expl.)
• Boiling point: 508.9±43.0°C at 760 mmHg (Cal.)
• Flash point: 261.6±28.2°C (Cal.)
• Refractive index: 1.586 (Cal.)